(3S)-2-[(2R)-3-Cyclopentyl-2-({formyl[(phenylmethyl)oxy]amino}methyl)propanoyl]-1-methyl-N-[3-(methyloxy)-2-pyrazinyl]-3-pyrazolidinecarboxamide (HCID 86706354)

기본 정보

표준 SMILES: COc1nccnc1NC(=O)[C@@H]1CCN(C)N1C(=O)[C@H](CC1CCCC1)CN(C=O)OCc1ccccc1
InChIKey: AESCBHDCBUCWFL-PKTZIBPZSA-N
분자식: C27H36N6O5
평균 분자량: 524.6 g/mol

이름 및 식별자

우선 이름: (3S)-2-[(2R)-3-Cyclopentyl-2-({formyl[(phenylmethyl)oxy]amino}methyl)propanoyl]-1-methyl-N-[3-(methyloxy)-2-pyrazinyl]-3-pyrazolidinecarboxamide
IUPAC: (3S)-2-[(2R)-2-(cyclopentylmethyl)-3-[formyl(phenylmethoxy)amino]propanoyl]-N-(3-methoxypyrazin-2-yl)-1-methylpyrazolidine-3-carboxamide

이름 및 동의어

SCHEMBL12487911AESCBHDCBUCWFL-PKTZIBPZSA-N(3S)-2-[(2R)-3-cyclopentyl-2-({formyl[(phenylmethyl)oxy]amino}methyl)propanoyl]-1-methyl-N-[3-(methyloxy)-2-pyrazinyl]-3-pyrazolidine carboxamide(3S)-2-[(2R)-3-Cyclopentyl-2-({formyl[(phenylmethyl)oxy]amino}methyl)propanoyl]-1-methyl-N-[3-(methyloxy)-2-pyrazinyl]-3-pyrazolidinecarboxamide

데이터베이스 식별자

PubChem CID: 86706354

물성

구조 계산 물성

XLogP: 3.1
극성 표면적: 117 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 8
회전 가능 결합 수: 11
무거운 원자 수: 38
형식 전하: 0
복잡도: 775

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